magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride

C156H196BrCl6MgN39O18Si4 — CID 167696035

IUPACmagnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride
SMILESCC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CNOC.CON(C)C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[C@@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)OCc2ccccc2)C1.C[C@H]1CNC[C@@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ccncn3)cnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)O)cnc21.Cl.Clc1c(-c2ccncn2)cnc2[nH]ccc12.N#CCC(=O)O.NC=O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C25H26N6O2.C20H21N7O.C17H21ClN4OSi.C17H20N6.C16H24ClN3O3Si.C15H21ClN2O2Si.C14H19ClN2O3Si.C14H20N2O2.C11H7ClN4.C3H3NO2.C2H7NO.CH3NO.CH3.BrH.ClH.Mg/c1-17-11-19(14-31(13-17)25(32)33-15-18-5-3-2-4-6-18)30-23-20-7-10-27-24(20)28-12-21(23)22-8-9-26-16-29-22;1-13-8-14(11-27(10-13)18(28)2-5-21)26-19-15-3-7-23-20(15)24-9-16(19)17-4-6-22-12-25-17;1-24(2,3)9-8-23-12-22-7-5-13-16(18)14(10-20-17(13)22)15-4-6-19-11-21-15;1-11-6-12(8-19-7-11)23-16-13-2-5-20-17(13)21-9-14(16)15-3-4-18-10-22-15;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;1-11(19)13-9-17-15-12(14(13)16)5-6-18(15)10-20-7-8-21(2,3)4;1-21(2,3)7-6-20-9-17-5-4-10-12(15)11(14(18)19)8-16-13(10)17;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;12-10-7-1-4-14-11(7)15-5-8(10)9-2-3-13-6-16-9;4-2-1-3(5)6;1-3-4-2;2-1-3;;;;/h2-10,12,16-17,19H,11,13-15H2,1H3,(H2,27,28,30);3-4,6-7,9,12-14H,2,8,10-11H2,1H3,(H2,23,24,26);4-7,10-11H,8-9,12H2,1-3H3;2-5,9-12,19H,6-8H2,1H3,(H2,20,21,23);6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3,(H,18,19);2-6,11,13H,7-10,15H2,1H3;1-6H,(H,14,15);1H2,(H,5,6);3H,1-2H3;1H,(H2,2,3);1H3;2*1H;/q;;;;;;;;;;;;-1;;;+2/p-1/t17-,19+;13-,14+;;11-,12+;;;;11-,13+;;;;;;;;/m11.1...1......../s1
InChIKeyWWNAVAGAJOHNAY-XVDJMEBWSA-M
MW3334.81 g/mol
LogP26.50
Rot. Bonds42

About magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride

magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride (PubChem CID 167696035) has the molecular formula C156H196BrCl6MgN39O18Si4 and a molecular weight of 3334.81 g/mol. Its IUPAC name is magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride.

Molecular Properties

Compound Namemagnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride
PubChem CID167696035
Molecular FormulaC156H196BrCl6MgN39O18Si4
Molecular Weight3334.81 g/mol
Exact Mass3328.19
IUPAC Namemagnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride
SMILESCC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CNOC.CON(C)C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[C@@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)OCc2ccccc2)C1.C[C@H]1CNC[C@@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ccncn3)cnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)O)cnc21.Cl.Clc1c(-c2ccncn2)cnc2[nH]ccc12.N#CCC(=O)O.NC=O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C25H26N6O2.C20H21N7O.C17H21ClN4OSi.C17H20N6.C16H24ClN3O3Si.C15H21ClN2O2Si.C14H19ClN2O3Si.C14H20N2O2.C11H7ClN4.C3H3NO2.C2H7NO.CH3NO.CH3.BrH.ClH.Mg/c1-17-11-19(14-31(13-17)25(32)33-15-18-5-3-2-4-6-18)30-23-20-7-10-27-24(20)28-12-21(23)22-8-9-26-16-29-22;1-13-8-14(11-27(10-13)18(28)2-5-21)26-19-15-3-7-23-20(15)24-9-16(19)17-4-6-22-12-25-17;1-24(2,3)9-8-23-12-22-7-5-13-16(18)14(10-20-17(13)22)15-4-6-19-11-21-15;1-11-6-12(8-19-7-11)23-16-13-2-5-20-17(13)21-9-14(16)15-3-4-18-10-22-15;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;1-11(19)13-9-17-15-12(14(13)16)5-6-18(15)10-20-7-8-21(2,3)4;1-21(2,3)7-6-20-9-17-5-4-10-12(15)11(14(18)19)8-16-13(10)17;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;12-10-7-1-4-14-11(7)15-5-8(10)9-2-3-13-6-16-9;4-2-1-3(5)6;1-3-4-2;2-1-3;;;;/h2-10,12,16-17,19H,11,13-15H2,1H3,(H2,27,28,30);3-4,6-7,9,12-14H,2,8,10-11H2,1H3,(H2,23,24,26);4-7,10-11H,8-9,12H2,1-3H3;2-5,9-12,19H,6-8H2,1H3,(H2,20,21,23);6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3,(H,18,19);2-6,11,13H,7-10,15H2,1H3;1-6H,(H,14,15);1H2,(H,5,6);3H,1-2H3;1H,(H2,2,3);1H3;2*1H;/q;;;;;;;;;;;;-1;;;+2/p-1/t17-,19+;13-,14+;;11-,12+;;;;11-,13+;;;;;;;;/m11.1...1......../s1
InChIKeyWWNAVAGAJOHNAY-XVDJMEBWSA-M
XLogP26.50
TPSA738.49 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds42
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.81
LogP ≤ 526.50
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride?
The IUPAC name of magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride (CID 167696035) is magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride.
What is the SMILES notation for magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride?
The canonical SMILES for magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride is CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CNOC.CON(C)C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[C@@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@@H]1C[C@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)CN(C(=O)OCc2ccccc2)C1.C[C@H]1CNC[C@@H](Nc2c(-c3ccncn3)cnc3[nH]ccc23)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ccncn3)cnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)O)cnc21.Cl.Clc1c(-c2ccncn2)cnc2[nH]ccc12.N#CCC(=O)O.NC=O.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride?
The InChIKey is WWNAVAGAJOHNAY-XVDJMEBWSA-M. The full InChI is InChI=1S/C25H26N6O2.C20H21N7O.C17H21ClN4OSi.C17H20N6.C16H24ClN3O3Si.C15H21ClN2O2Si.C14H19ClN2O3Si.C14H20N2O2.C11H7ClN4.C3H3NO2.C2H7NO.CH3NO.CH3.BrH.ClH.Mg/c1-17-11-19(14-31(13-17)25(32)33-15-18-5-3-2-4-6-18)30-23-20-7-10-27-24(20)28-12-21(23)22-8-9-26-16-29-22;1-13-8-14(11-27(10-13)18(28)2-5-21)26-19-15-3-7-23-20(15)24-9-16(19)17-4-6-22-12-25-17;1-24(2,3)9-8-23-12-22-7-5-13-16(18)14(10-20-17(13)22)15-4-6-19-11-21-15;1-11-6-12(8-19-7-11)23-16-13-2-5-20-17(13)21-9-14(16)15-3-4-18-10-22-15;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;1-11(19)13-9-17-15-12(14(13)16)5-6-18(15)10-20-7-8-21(2,3)4;1-21(2,3)7-6-20-9-17-5-4-10-12(15)11(14(18)19)8-16-13(10)17;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;12-10-7-1-4-14-11(7)15-5-8(10)9-2-3-13-6-16-9;4-2-1-3(5)6;1-3-4-2;2-1-3;;;;/h2-10,12,16-17,19H,11,13-15H2,1H3,(H2,27,28,30);3-4,6-7,9,12-14H,2,8,10-11H2,1H3,(H2,23,24,26);4-7,10-11H,8-9,12H2,1-3H3;2-5,9-12,19H,6-8H2,1H3,(H2,20,21,23);6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3,(H,18,19);2-6,11,13H,7-10,15H2,1H3;1-6H,(H,14,15);1H2,(H,5,6);3H,1-2H3;1H,(H2,2,3);1H3;2*1H;/q;;;;;;;;;;;;-1;;;+2/p-1/t17-,19+;13-,14+;;11-,12+;;;;11-,13+;;;;;;;;/m11.1...1......../s1.
What are the key properties of magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride?
magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride has a molecular weight of 3334.81 g/mol, XLogP of 26.50, 42 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate;benzyl (3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;carbanide;4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloro-5-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-cyanoacetic acid;formamide;N-methoxymethanamine;N-[(3S,5R)-5-methylpiperidin-3-yl]-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R,5S)-3-methyl-5-[(5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;bromide;hydrochloride is sourced from PubChem (CID 167696035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).